SCHEMBL12438698

SCHEMBL12438698

COCCn1c(OCc2ccc(Cl)cc2)c2c(=O)n(CCN3CCOCC3)[nH]c2cc1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 5/20 0.61
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.40
USP2 O75604 2/20 0.40
CYP1A2 P05177 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HTR3A P46098 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CCR5 P51681 1/20 0.37
ADORA2B P29275 1/20 0.36
TSHR P16473 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2212766 0.85 NOX4 (0.61) NOX4ALDH1A1USP2CYP1A2CASP1
SCHEMBL2212334 0.84 NOX4 (0.84) NOX4ALDH1A1USP2CYP1A2CASP1
SCHEMBL2214294 0.79 NOX4 (0.65) NOX4ALDH1A1CYP1A2HSD17B10MEN1
SCHEMBL2211354 0.79 NOX4 (0.67) NOX4ALDH1A1MEN1KMT2AHTR3A
SCHEMBL2208802 0.77 NOX4 (0.52) NOX4ALDH1A1USP2MEN1KMT2A
SCHEMBL2210496 0.77 NOX4 (0.51) NOX4ALDH1A1USP2CYP1A2CASP1
SCHEMBL2209016 0.76 NOX4 (1.00) NOX4ALDH1A1USP2CYP1A2CASP1
SCHEMBL2211527 0.75 NOX4 (0.49) NOX4ALDH1A1USP2CYP1A2CASP1
SCHEMBL2213624 0.75 NOX4 (0.73) NOX4ALDH1A1USP2CASP1CASP7
SCHEMBL2213956 0.74 NOX4 (0.51) NOX4ALDH1A1CYP1A2CASP1CASP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455486-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2013-06-04 US disclosed
US-8455486-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2013-06-04 US disclosed
US-20110178082-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-07-21 US disclosed
US-20110178082-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-07-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110178082-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB NOX4 2/4885POLB 777/4885ALDH1A1 230/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.